2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol

C14H14OS — CID 14771924

IUPAC2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol
SMILESCc1cc(/C=C/c2ccsc2)cc(C)c1O
InChIInChI=1S/C14H14OS/c1-10-7-13(8-11(2)14(10)15)4-3-12-5-6-16-9-12/h3-9,15H,1-2H3/b4-3+
InChIKeyMEPIXXCKHVKBIS-ONEGZZNKSA-N
MW230.33 g/mol
LogP4.24
Rot. Bonds2

About 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol

2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol (PubChem CID 14771924) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol
PubChem CID14771924
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol
SMILESCc1cc(/C=C/c2ccsc2)cc(C)c1O
InChIInChI=1S/C14H14OS/c1-10-7-13(8-11(2)14(10)15)4-3-12-5-6-16-9-12/h3-9,15H,1-2H3/b4-3+
InChIKeyMEPIXXCKHVKBIS-ONEGZZNKSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol (CID 14771924) is 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol is Cc1cc(/C=C/c2ccsc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol?
The InChIKey is MEPIXXCKHVKBIS-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14OS/c1-10-7-13(8-11(2)14(10)15)4-3-12-5-6-16-9-12/h3-9,15H,1-2H3/b4-3+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol?
2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol has a molecular weight of 230.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-thiophen-3-ylethenyl]phenol is sourced from PubChem (CID 14771924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).